CID 112590640

1909287-68-8

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(C)(C)OCCOC1CC(C1)O

InChI

InChI=1S/C10H20O3/c1-10(2,3)13-5-4-12-9-6-8(11)7-9/h8-9,11H,4-7H2,1-3H3

InChIKey

KBOOKVICYGQETI-UHFFFAOYSA-N

Compound name

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.14125 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.14853	142.3
[M+Na]+	211.13047	146.9
[M-H]-	187.13397	144.2
[M+NH4]+	206.17507	155.3
[M+K]+	227.10441	149.6
[M+H-H2O]+	171.13851	132.6
[M+HCOO]-	233.13945	160.8
[M+CH3COO]-	247.15510	184.7
[M+Na-2H]-	209.11592	146.6
[M]+	188.14070	153.0
[M]-	188.14180	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe